(3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one

C8H15FN2O2 — CID 163908288

IUPAC(3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one
SMILESC[C@@H](O)C(CN)C(=O)N1CC(F)C1
InChIInChI=1S/C8H15FN2O2/c1-5(12)7(2-10)8(13)11-3-6(9)4-11/h5-7,12H,2-4,10H2,1H3/t5-,7?/m1/s1
InChIKeyQPWSXIKQYHFSBO-FOUAAFFMSA-N
MW190.22 g/mol
LogP-0.88
Rot. Bonds3

About (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one

(3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one (PubChem CID 163908288) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one.

Molecular Properties

Compound Name(3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one
PubChem CID163908288
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one
SMILESC[C@@H](O)C(CN)C(=O)N1CC(F)C1
InChIInChI=1S/C8H15FN2O2/c1-5(12)7(2-10)8(13)11-3-6(9)4-11/h5-7,12H,2-4,10H2,1H3/t5-,7?/m1/s1
InChIKeyQPWSXIKQYHFSBO-FOUAAFFMSA-N
XLogP-0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one?
The IUPAC name of (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one (CID 163908288) is (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one.
What is the SMILES notation for (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one?
The canonical SMILES for (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one is C[C@@H](O)C(CN)C(=O)N1CC(F)C1.
What is the InChIKey of (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one?
The InChIKey is QPWSXIKQYHFSBO-FOUAAFFMSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-5(12)7(2-10)8(13)11-3-6(9)4-11/h5-7,12H,2-4,10H2,1H3/t5-,7?/m1/s1.
What are the key properties of (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one?
(3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one has a molecular weight of 190.22 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(aminomethyl)-1-(3-fluoroazetidin-1-yl)-3-hydroxybutan-1-one is sourced from PubChem (CID 163908288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).